3-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-4-carboxamide

C12H14N4OS — CID 114131562

IUPAC3-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-4-carboxamide
SMILESCC(C)(NC(=O)c1ccncc1N)c1nccs1
InChIInChI=1S/C12H14N4OS/c1-12(2,11-15-5-6-18-11)16-10(17)8-3-4-14-7-9(8)13/h3-7H,13H2,1-2H3,(H,16,17)
InChIKeyHZQMBRABJWXEPW-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.79
Rot. Bonds3

About 3-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-4-carboxamide

3-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-4-carboxamide (PubChem CID 114131562) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 3-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-4-carboxamide
PubChem CID114131562
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name3-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-4-carboxamide
SMILESCC(C)(NC(=O)c1ccncc1N)c1nccs1
InChIInChI=1S/C12H14N4OS/c1-12(2,11-15-5-6-18-11)16-10(17)8-3-4-14-7-9(8)13/h3-7H,13H2,1-2H3,(H,16,17)
InChIKeyHZQMBRABJWXEPW-UHFFFAOYSA-N
XLogP1.79
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(1,3-thiazol-2-ylmethyl)pyridine-4-carboxamide
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6-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid
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N-[2-(1,3-thiazol-2-yl)propan-2-yl]prop-2-ynamide
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2-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-4-carboxamide (CID 114131562) is 3-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-4-carboxamide is CC(C)(NC(=O)c1ccncc1N)c1nccs1.
What is the InChIKey of 3-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-4-carboxamide?
The InChIKey is HZQMBRABJWXEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-12(2,11-15-5-6-18-11)16-10(17)8-3-4-14-7-9(8)13/h3-7H,13H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-4-carboxamide?
3-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-4-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 114131562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).